Electrocatalytic nitrate reduction to ammonia is an attractive alternative route for the traditional Haber-Bosch process, yet suffers from unsatisfied efficiency and selectivity due to multiple intermediates as well as the competitive hydrogen evolution reaction. Herein, we report a defect-rich AuCu@Ag nanowires (AuCu@Ag NWs) with exclusive strain effect as an efficient electrocatalyst for nitrate reduction reaction (NORR). AuCu@Ag NWs catalyst shows excellent electrocatalytic performance for NO to NH in the NORR process, with the NH yield rate of 975.1 μg h mg, Faraday efficiency of 96.9% and NH selectivity of 95.7%. DFT theoretical investigation manifests that the Ag atomic shell deposited layer-by-layer on AuCu NWs generates exclusive strain effect that accelerates the adsorption of NO and reaction intermediates, thereby enhances the NORR activity. This work opens up new avenues for rational construction of high-performance NORR electrocatalysts by synergistically modulating the electronic configuration of the active atoms through defect and strain engineering.

中文翻译：

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具有独特应变效应的富含缺陷的AuCu@Ag纳米线加速硝酸盐还原为氨

电催化硝酸盐还原成氨是传统哈伯-博世工艺的一种有吸引力的替代路线，但由于多种中间体以及竞争性析氢反应，其效率和选择性不令人满意。在此，我们报道了一种富含缺陷的 AuCu@Ag 纳米线（AuCu@Ag NWs），其具有独特的应变效应，可作为硝酸盐还原反应（NORR）的有效电催化剂。 AuCu@Ag NWs催化剂在NORR过程中对NO生成NH表现出优异的电催化性能，NH收率达到975.1 μg h mg，法拉第效率为96.9%，NH选择性为95.7%。 DFT理论研究表明，AuCu纳米线上层层沉积的Ag原子壳层产生排他应变效应，加速NO和反应中间体的吸附，从而增强NORR活性。这项工作通过缺陷和应变工程协同调节活性原子的电子构型，为合理构建高性能 NORR 电催化剂开辟了新途径。